Fluoroimidogen
- Formula: FN
- Molecular weight: 33.0051
- IUPAC Standard InChI: InChI=1S/FN/c1-2
- IUPAC Standard InChIKey: CMUBZTZNXGBJMQ-UHFFFAOYSA-N
- CAS Registry Number: 13967-06-1
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 59.500 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1965 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 51.453 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1965 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1000. | 1000. to 6000. |
|---|---|---|
| A | 4.760311 | 8.865682 |
| B | 9.737541 | 0.149206 |
| C | -8.714291 | -0.009164 |
| D | 2.865581 | 0.000647 |
| E | 0.025531 | -0.334586 |
| F | 57.80480 | 55.94799 |
| G | 54.81511 | 60.82579 |
| H | 59.50010 | 59.50010 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1965 | Data last reviewed in June, 1965 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess
View reactions leading to FN+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.499990 | EIAE | Sidirov, 1982 | value altered from reference due to conversion from electron convention to ion convention; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.1 ± 0.4 | EI | Tarnovsky, Levin, et al., 1994 | LL |
| 12.26 ± 0.01 | PE | Dyke, Jonathan, et al., 1982 | LBLHLM |
| 12.63 ± 0.01 | PE | Dyke, Jonathan, et al., 1982 | Vertical value; LBLHLM |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Klaus P. Huber and Gerhard H. Herzberg
Data collected through May, 1977
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Theoretical potential functions and spectroscopic constants for the ground and several excited states O'Hare and Wahl, 1971, Andersen and Ohrn, 1973, Ellis and Banyard, 1974 | ||||||||||||
| b 1Σ+ | 18877.05 | 1197.49 Z | 8.64 | 1.23770 | 0.01448 | 5.28E-6 | 1.29983 | b 1 → X 2 V | 18905.20 Z | |||
| ↳missing citation | ||||||||||||
| a 1Δ | [12003.60] | [1.2225] 3 | [4.5E-6] | [1.3079] | a → X V | 11435.16 Z | ||||||
| ↳missing citation | ||||||||||||
| X 3Σ- | 0 | 1141.37 Z | 8.99 | 1.20568 4 | 0.01492 | 5.39E-6 | 1.31698 5 | |||||
| ↳Milligan and Jacox, 1964 | ||||||||||||
Notes
| 1 | Lifetime 0.16 s, estimated from the rate of attenuation of the green emission in the reaction N + NF2 along a flow tube Clyne and White, 1970. |
| 2 | Franck-Condon factors Mohamed, Khanna, et al., 1974. |
| 3 | Spin coupling constants λ0 = 1.2l5, γ0 = -0.0048. |
| 4 | missing note |
| 5 | Vibration sp. 7 |
| 6 | Estimated by O'Hare and Wahl, 1971 on the basis of spectroscopic and thermochemical data; the ab initio computed value is 3.6 eV. |
| 7 | Observed in argon and nitrogen matrices, ΔG(1/2) = 1115. |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Sidirov, 1982
Sidirov, L.N.,
Molecules with a high electron affinity,
Russ. Chem. Rev., 1982, 51, 356. [all data]
Tarnovsky, Levin, et al., 1994
Tarnovsky, V.; Levin, A.; Becker, K.,
Absolute cross sections for the electron impact ionization of the NF2 and NF free radicals,
J. Chem. Phys., 1994, 100, 5626. [all data]
Dyke, Jonathan, et al., 1982
Dyke, J.M.; Jonathan, N.; Lewis, A.E.; Morris, A.,
Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 14. A study of the ground state of NF+ via the ionization processes NF+(X 2Π)←NF(X3Σ-,a1Δ),
J. Chem. Soc. Faraday Trans. 2, 1982, 78, 1445. [all data]
O'Hare and Wahl, 1971
O'Hare, P.A.G.; Wahl, A.C.,
Quantum-chemical study of some pnicogen monofluorides,
J. Chem. Phys., 1971, 54, 4563. [all data]
Andersen and Ohrn, 1973
Andersen, A.; Ohrn, Y.,
Configuration interaction studies of NF and NF+,
J. Mol. Spectrosc., 1973, 45, 358. [all data]
Ellis and Banyard, 1974
Ellis, D.J.; Banyard, K.E.,
A calculation of the spectroscopic constants for several states of NF,
J. Phys. B:, 1974, 7, 2021. [all data]
Milligan and Jacox, 1964
Milligan, D.E.; Jacox, M.E.,
Infrared Spectra of NF, NCl, and NBr,
J. Chem. Phys., 1964, 40, 9, 2461, https://doi.org/10.1063/1.1725547
. [all data]
Clyne and White, 1970
Clyne, M.A.A.; White, I.F.,
Electronic energy transfer processes in fluorine-containing radicals: singlet NF,
Chem. Phys. Lett., 1970, 6, 465. [all data]
Mohamed, Khanna, et al., 1974
Mohamed, K.A.; Khanna, B.N.; Lal, K.M.,
Franck-Condon factors & r-centroids for the b1Σ+ -- X3Σ- band system of NF,
Indian J. Pure Appl. Phys., 1974, 12, 243. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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